2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid

C12H15N3O3 — CID 64619007

IUPAC2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCc2ccncc2)C1
InChIInChI=1S/C12H15N3O3/c16-11(17)5-10-7-15(8-10)12(18)14-6-9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,14,18)(H,16,17)
InChIKeyUNVMTSMWPJDVMB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.70
Rot. Bonds4

About 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64619007) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64619007
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCc2ccncc2)C1
InChIInChI=1S/C12H15N3O3/c16-11(17)5-10-7-15(8-10)12(18)14-6-9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,14,18)(H,16,17)
InChIKeyUNVMTSMWPJDVMB-UHFFFAOYSA-N
XLogP0.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[1-[2-(4-fluorophenyl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617413
2-[1-[4-[(carbamoylamino)methyl]benzoyl]azetidin-3-yl]acetic acid
CID 64604965
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid (CID 64619007) is 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCc2ccncc2)C1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is UNVMTSMWPJDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(17)5-10-7-15(8-10)12(18)14-6-9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64619007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).